SCHEMBL7587761

SCHEMBL7587761

NC(=O)c1ccc(NC(=S)Nc2cccc(I)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA12 O43570 1/20 0.64
CA9 Q16790 1/20 0.64
ALDH1A1 P00352 8/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 3/20 0.50
GAA P10253 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6815988 0.86 ALDH1A1 (0.61) CA1CA2ALDH1A1L3MBTL1KDM4E
SCHEMBL6814466 0.84 ALDH1A1 (0.58) CA1CA2ALDH1A1L3MBTL1KDM4E
SCHEMBL6814445 0.84 KMT2A (0.66) CA1CA2ALDH1A1L3MBTL1KDM4E
SCHEMBL6815731 0.82 ALDH1A1 (0.73) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL6819395 0.82 MAPT (0.64) ALDH1A1L3MBTL1GAASMN1; SMN2KMT2A
SCHEMBL6815438 0.82 MAPT (0.64) ALDH1A1L3MBTL1KDM4EGAAKMT2A
SCHEMBL6811419 0.82 MEN1 (0.64) ALDH1A1L3MBTL1GAASMN1; SMN2KMT2A
SCHEMBL7594296 0.82 ALDH1A1 (0.67) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL6816592 0.82 GAA (0.72) ALDH1A1L3MBTL1GAASMN1; SMN2KMT2A
SCHEMBL6811285 0.82 GAA (0.64) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US claimed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed